Geometry & MOs

Info

ID:	350129
PubChem CID:	127277207
Reduced:	FSN3O3C19H26 (1)
Stoich.:	ABC3D3E19F26 (1)
Weight, g/mol:	382.229014
ΔH_f, kcal/mol:	-173.46
Dipole, Da:	3.42
IP(EA), eV:	-8.45(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7-dimethyl-1-[[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]sulfonylmethyl]bicyclo[2.2.1]heptan-2-one

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2CCCN2S(=O)(=O)C3=C(C=C4C(=C3)CCC(=O)N4)F

DOS

IR

Vibrations